Isopropylbenzene

Isopropylbenzene

SCHEMBL2596977

CC(C)c1ccccc1.CCCCCCCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
ASAH1 Q13510 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ACER2 Q5QJU3 1/20 0.47
NAAA Q02083 2/20 0.47
KCNH2 Q12809 2/20 0.45
EPHX1 P07099 1/20 0.45
CYP19A1 P11511 3/20 0.44
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isopropylbenzene SCHEMBL18343980 1.00 HTR2A (0.50) HTR2AASAH1ALDH1A1ACER2NAAA
Hexadecane SCHEMBL28192744 1.00 HTR2A (0.50) HTR2AASAH1ALDH1A1ACER2NAAA
Isopropylbenzene SCHEMBL8837125 0.98 HTR2A (0.47) HTR2AASAH1ALDH1A1ACER2NAAA
Isopropylbenzene SCHEMBL27354567 0.90 HTR2A (0.44) HTR2AASAH1ALDH1A1ACER2NAAA
Dodecanol SCHEMBL27992743 0.90 LMNA (0.50) HTR2AASAH1ALDH1A1ACER2NAAA
Isopropylbenzene SCHEMBL28826494 0.90 HTR2A (0.44) HTR2AASAH1ALDH1A1ACER2NAAA
Dodecylamine SCHEMBL1859156 0.90 HTR2A (0.51) HTR2AALDH1A1EPHX1TAAR1
Dodecylamine SCHEMBL28153413 0.88 DNM1 (0.52) HTR2AALDH1A1EPHX1TAAR1
Isopropylbenzene SCHEMBL8668126 0.88 SIGMAR1 (0.58) ASAH1ALDH1A1ACER2NAAAEPHX1
Isopropylbenzene SCHEMBL1451617 0.87 TAAR1 (0.48) HTR2ATAAR1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120279497-A1 VISCOUS CARBOHYDRATE COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF VIRDIA LTD (IL) 2012-11-08 US disclosed
WO-2011141904-A1 VISCOUS CARBOHYDRATE COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF HCL CLEANTECH LTD. (IL) 2011-11-17 WO disclosed